[1,3,11-triacetyloxy-10-methyl-17-(6-methyl-5-methylideneheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-13-yl]methyl acetate
| Internal ID | 2993d1db-ecbc-4276-a614-341711c4ac6f |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid esters |
| IUPAC Name | [1,3,11-triacetyloxy-10-methyl-17-(6-methyl-5-methylideneheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-13-yl]methyl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H54O8/c1-20(2)21(3)10-11-22(4)30-14-15-31-29-13-12-27-16-28(42-24(6)38)17-33(44-26(8)40)35(27,9)34(29)32(43-25(7)39)18-36(30,31)19-41-23(5)37/h12,20,22,28-34H,3,10-11,13-19H2,1-2,4-9H3 |
| InChI Key | FAUMJPPMMBRGLP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H54O8 |
| Molecular Weight | 614.80 g/mol |
| Exact Mass | 614.38186868 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 7.40 |
| There are no found synonyms. |
![2D Structure of [1,3,11-triacetyloxy-10-methyl-17-(6-methyl-5-methylideneheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-13-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/3e53cf50-82d3-11ee-83cf-49372beafae4.jpg "2D Structure of [1,3,11-triacetyloxy-10-methyl-17-(6-methyl-5-methylideneheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-13-yl]methyl acetate")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.39% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.26% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.33% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.18% | 94.45% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 93.70% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.39% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.09% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.47% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.97% | 99.17% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 88.16% | 94.08% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 88.12% | 91.65% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 87.16% | 89.05% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 87.06% | 94.62% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.05% | 91.19% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.87% | 92.62% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.09% | 100.00% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 82.87% | 97.53% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.61% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.38% | 93.56% |
| CHEMBL5028 | O14672 | ADAM10 | 81.25% | 97.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.18% | 89.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.30% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.04% | 95.56% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 73819040 |
| LOTUS | LTS0083627 |
| wikiData | Q104992441 |